Cellulose powder functionalized with phenyl biguanide: Synthesis, cross-linking, metal adsorption, and molecular docking

A cellulose polymer functionalized with an amine chelating agent was designed and synthesized in a three-step process that involved oxidizing powder into dialdehyde cellulose, reacting phenyl biguanide to create imine linkage between the two reactants, reducing amine. The cross-linked glycerol digycidyl ether evaluated as adsorbent of toxic metal ions from wastewater. adsorption efficiency toward Pb(II) Cu(II) function dose, pH, time, temperature, initial ion concentration. showed excellent over 15 present real sample sewage. Thermodynamic analysis spontaneous on at room temperature. Monte Carlo Molecular Dynamic simulations adsorbed onto surface considerable amount, which agreed experimental thermodynamic data. negative free energy value confirmed spontaneity process. As such, polymers could be promising alternative current commercial adsorbents.